methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate

C14H19N3O2 — CID 75519312

IUPACmethyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-14(2,13(18)19-3)10-15-8-11-9-17-7-5-4-6-12(17)16-11/h4-7,9,15H,8,10H2,1-3H3
InChIKeyDCWPCYXOBGGVEK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.62
Rot. Bonds5

About methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate

methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate (PubChem CID 75519312) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
PubChem CID75519312
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namemethyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNCc1cn2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-14(2,13(18)19-3)10-15-8-11-9-17-7-5-4-6-12(17)16-11/h4-7,9,15H,8,10H2,1-3H3
InChIKeyDCWPCYXOBGGVEK-UHFFFAOYSA-N
XLogP1.62
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-1-amine
CID 114941119
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2,2-dimethoxyethanamine
CID 60687022
2-[2-(imidazo[1,2-a]pyridin-2-ylmethylamino)ethoxy]acetamide
CID 106236565
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60698046
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 60672705
methyl 2,2-dimethyl-3-[(6-methyl-2-pyridinyl)methylamino]propanoate
CID 79623760
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-iodoethanamine
CID 114505443
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110929224
4-[(imidazo[1,2-a]pyridin-2-ylmethylamino)methyl]phenol
CID 115572847
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 103973250

Frequently Asked Questions

What is the IUPAC name of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate (CID 75519312) is methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNCc1cn2ccccc2n1.
What is the InChIKey of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate?
The InChIKey is DCWPCYXOBGGVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2,13(18)19-3)10-15-8-11-9-17-7-5-4-6-12(17)16-11/h4-7,9,15H,8,10H2,1-3H3.
What are the key properties of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate?
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate has a molecular weight of 261.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 75519312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).